2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid

C17H15NO4 — CID 872314

IUPAC2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid
SMILESCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21
InChIInChI=1S/C17H15NO4/c1-18-14-4-2-10(8-16(19)20)6-12(14)13-7-11(9-17(21)22)3-5-15(13)18/h2-7H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyKNCOSYBTWMHMNW-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.59
Rot. Bonds4

About 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid

2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid (PubChem CID 872314) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid
PubChem CID872314
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid
SMILESCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21
InChIInChI=1S/C17H15NO4/c1-18-14-4-2-10(8-16(19)20)6-12(14)13-7-11(9-17(21)22)3-5-15(13)18/h2-7H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyKNCOSYBTWMHMNW-UHFFFAOYSA-N
XLogP2.59
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(1-methyl-1H-indol-3-yl)acetic acid
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CID 563822
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10017976
3-(2-Phenyl-1H-indol-1-yl)propanoic acid
CID 803793
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600
2-[1-(4-fluorobenzyl)-1H-indol-3-yl]acetic acid
CID 2774436
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
CID 119553
5-Carbazol-9-yl-pentanoic acid
CID 28971834
3-(5-Cyclopropyl-2,3-Diphenyl-1h-Indol-1-Yl)propanoic Acid
CID 72695132

Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid (CID 872314) is 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid is Cn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid?
The InChIKey is KNCOSYBTWMHMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-18-14-4-2-10(8-16(19)20)6-12(14)13-7-11(9-17(21)22)3-5-15(13)18/h2-7H,8-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid?
2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxymethyl)-9-methylcarbazol-3-yl]acetic acid is sourced from PubChem (CID 872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).